| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 27th, 2010 | 21 | Yes |
Popular Name: (2S,4S)-4-tert-butyl-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclohexanone (2S,4S)-4-tert-butyl-2-[[4-(2-hy…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.89 | 4.53 | -39.55 | 2 | 4 | 1 | 45 | 297.463 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.89 | 2.41 | -7.36 | 1 | 4 | 0 | 44 | 296.455 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
